2-(4-methylphenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]ethanamide

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]ethanamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(p-tolylsulfonyl)acetamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]acetamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-2-tosyl-acetamide Formula: C19H19N3O5S3 MolecularWeight: 465.56626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC

InChI

InChI=1S/C19H19N3O5S3/c1-13-3-6-15(7-4-13)30(26,27)12-18(23)20-19-21(9-10-28-2)16-8-5-14(22(24)25)11-17(16)29-19/h3-8,11H,9-10,12H2,1-2H3